Dataset
heteronuclear multiple bond coherence (HMBC)
Chemical Info
| InChI | InChI=1S/C11H12N2S/c1-12-7-10-8-14-11(13-10)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3 |
|---|---|
| SMILES | CNCc1csc(n1)c1ccccc1 |
| InChI Key | UGRXAOUDHZOHPF-UHFFFAOYSA-N |
| Molecular Formula | C11H12N2S |
| Exact Mass | 204.291 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/UGRXAOUDHZOHPF-UHFFFAOYSA-N/CHMO0000601 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/UGRXAOUDHZOHPF-UHFFFAOYSA-N/CHMO0000601 |
| Version | |
| Author | Simone Gräßle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2025-02-04T13:31:14.058472 |
| MetadataModified | 2025-02-05T14:33:55.168375 |
| MetadataPublished | 2025-01-31 |
| Related Molecule |